Geometry & MOs

Info

ID:	293170
PubChem CID:	117375570
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-128.55
Dipole, Da:	2.61
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isocyanatocyclobutyl)-4,5-dimethoxyphenol

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C(C(=CC(=C1)C#N)OC)O

DOS

IR

Vibrations